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	hartrees
Energy at 0K	-369.444606
Energy at 298.15K	-369.451153
HF Energy	-368.901965
Nuclear repulsion energy	59.407789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2492	2492
2	A₁	2462	2462
3	A₁	1112	1112
4	A₁	1032	1032
5	A₁	550	550
6	A₂	239	239
7	E	2544	2544
7	E	2544	2544
8	E	2503	2503
8	E	2502	2502
9	E	1169	1169
9	E	1169	1169
10	E	1146	1146
10	E	1145	1145
11	E	848	848
11	E	847	847
12	E	387	387
12	E	385	385

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
P2	0.000	0.000	0.551
H3	0.000	-1.172	-1.662
H4	-1.015	0.586	-1.662
H5	1.015	0.586	-1.662
H6	0.000	1.239	1.205
H7	-1.073	-0.620	1.205
H8	1.073	-0.620	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9282	1.2058	1.2058	1.2058	2.8645	2.8645	2.8645
P2	1.9282		2.5036	2.5036	2.5036	1.4014	1.4014	1.4014
H3	1.2058	2.5036		2.0296	2.0296	3.7458	3.1104	3.1104
H4	1.2058	2.5036	2.0296		2.0296	3.1104	3.1104	3.7458
H5	1.2058	2.5036	2.0296	2.0296		3.1104	3.7458	3.1104
H6	2.8645	1.4014	3.7458	3.1104	3.1104		2.1465	2.1465
H7	2.8645	1.4014	3.1104	3.1104	3.7458	2.1465		2.1465
H8	2.8645	1.4014	3.1104	3.7458	3.1104	2.1465	2.1465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.833	B1	P2	H7	117.833
B1	P2	H8	117.833	P2	B1	H3	103.633
P2	B1	H4	103.633	P2	B1	H5	103.633
H3	B1	H4	114.624	H3	B1	H5	114.624
H4	B1	H5	114.624	H6	P2	H7	99.963
H6	P2	H8	99.963	H7	P2	H8	99.963

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)